1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol

C15H13ClN4O — CID 44565407

IUPAC1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol
SMILESOC(Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O/c16-13-8-6-11(7-9-13)14(21)10-20-18-15(17-19-20)12-4-2-1-3-5-12/h1-9,14,21H,10H2
InChIKeyMRCCTPSQXUMCLG-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol

1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol (PubChem CID 44565407) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol
PubChem CID44565407
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol
SMILESOC(Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O/c16-13-8-6-11(7-9-13)14(21)10-20-18-15(17-19-20)12-4-2-1-3-5-12/h1-9,14,21H,10H2
InChIKeyMRCCTPSQXUMCLG-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol (CID 44565407) is 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol is OC(Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol?
The InChIKey is MRCCTPSQXUMCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-13-8-6-11(7-9-13)14(21)10-20-18-15(17-19-20)12-4-2-1-3-5-12/h1-9,14,21H,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol?
1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol has a molecular weight of 300.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-phenyltetrazol-2-yl)ethanol is sourced from PubChem (CID 44565407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).